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National Security Issues

Research Priorities (CTS)Bob Wellek

Deputy Director, CTS / NSFFebruary 28, 2005

ASEE Forum

Chemical & Transport Systems

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CTS Strategic Objectives:

Nano-Scale Science & Technology

Smart Manufacturing & Processing

Environmentally-Friendly & Energy–Focused Processes & Products

Safety & Security

Major CTS Priority Areas

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Fundamental Engineering Research is Supported in the following Phenomenological Areas in Support of our Strategic Objectives:

Chemical Processing and Catalysis

Interfacial, Transport, & Separations

Fluid And Multiphase Processing

Thermal Systems

CTS Engineering Approaches

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Catalysis:New catalytic processing routes,environmental protection, sustainability

Heterogeneous & supported homogeneous and biocatalysts

Synthesis of novel compositions and structures; combinatorial method

Characterization (new techniques,combinations, in situ approaches)

Pioneering Modeling, computation, & theory

Catalysis and Bio-CatalysisSlide 1 of 2

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Advanced Materials Processing:Synthesis of thin films (sensors, semiconductors, devices)

Surface modification (functionalization, passivation, activation)

Electrochemical Processing andElectrochemistry:

Fuel cells--including electrocatalysts

Electrodeposition

Catalysis and Bio-CatalysisSlide 2 of 2

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Si Si

SiOOOO

OOSi Si

SiOOOO

OO

Research Focus:• Goal: Develop model systems to

help understand metal | metal oxide interfaces of importance for catalysis, electronics, sensor applications

• Surface science experiments and first principles computations used in direct combination

• Early results indicate that Si-O-M and Si-M interactions can each be modeled using this system

Education Focus• Currently employing molecular

reaction engineering (MRE) focus in UG thermodynamics and kinetics courses

• With H.S. Fogler, developed web module for MRE calculations

:

Si4 spherosiloxane adsorbed on Pd(111) through Si atom

http://www.engin.umich.edu/~cre/web_mod/quantum/index.htm

Website animation; students compute DHRxn, KEQ, EA for this reaction

(graphics prepared using Spartan)

Will Medlin - - University of Colorado

CAREER: Modeling Metal-SiO2 Interfaces Using Spherosiloxanes Adsorbed on Metal Single Crystals

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Process & Reaction Engineering

Electrochemical systemsDevelopment of Fuel Cells – concepts involved in the furtherance of hydrogen economy

Reactors used in microelectronics manufacturing: CVD, plasma reactors

Electron Beam CVD for manufacturing nano-materials and devices

Plasma co-deposition of nano-particles for mixed-phase thin films

Produce nano-particles in plasma micro-reactors

Slide 1 of 2

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Process & Reaction Engineering

Fundamental Process Control AlgorithmsControl systems for plant security

Model predictive control

Robust, adaptive, etc.

Design and retrofit of sensor networks

Sensor networks

Fundamental Process Design Methodology

Design of Molecules – new tailor-made

Micro-Reactors

Slide 2 of 2

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Fabrication of compound semiconductor devices on flexible polymeric substrates by low temperature processing technologyPotential applications: transistors, sensors, and solar cells

Mask Design for the Interdigital Micromixer

Cover

300 nm Aluminum

2

1mm Silicon Substrate

100 nm Gold

300 nm Aluminum

2

1mm Silicon Substrate

100 nm Gold

2 Batch

Micromixer

AFM images of CdS nanoparticles produced from low reactant concentration without surfactant

PDMS Interdigital Micromixer

Micromixer Channel

Width Channel Depth

Channel Length

(micrometers) (micrometers) (micrometers) Generation

I 100 50 100 Generation

II 40 40 125

CAREER: Process Engineering of Chemical Bath Deposition: A Soft Solution Route to Flexible Electronics

Chih-hung Chang - Oregon State University

Batch

Micromixer

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Interfacial, Transport, & Thermodynamics

Advanced Materials Processing

Functional / Smart Materials for NovelManufacturing Applications

Directed- and Self-Assembly of NovelSurfactant-Based Films & Composites

Polymer Micro- and Nanostructures

Slide 1 of 2

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Interfacial, Transport, & Thermodynamics

Nano-technology & Bioprocessing“Converging Technologies”

Nano-materials for Sensors(Health & Security)

Drug Delivery & Bio-sensing

Environmental TechnologiesPollution Prevention at the Source

Slide 2 of 2

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Separation and Purification Processes

Innovation in Chemical and Materials Processes

Environmental: removal of waste materials

Energy: fuel-cell membranes

Specialty chemicals: increased resolution

Biochemical SeparationsElectrophoretic separations of DNA

Charged membranes for separating proteins

13Gold metal dots on silica surface for DNA separation.

Micro-scale separations utilizingnanotechnology and microfluidicsoffer solutions to a variety of problemsin medical diagnostics, proteomics, sensing, and related areas.

Gold metal “dots” are deposited onsilicon to form a 2D medium forseparating DNA molecule using electrophorsis

Separation is controlled by adjustingmicrostructure of 2D medium

Electrophoretic Separation of Long DNA Moleculeswith High Resolution at the Nanoscale Dimension

V. Samuilov - SUNY Stony Brook

(CTS-0103470)

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Particulate & Multiphase ProcessingSlide 1 of 2

Microstructured Materials Synthesis and Processing

ColloidsSelf assemblyDirected assemblyEngineered particles)

Particle TechnologyFluidizationGranular flowsSuspensionsDiagnostics

Modeling and SimulationDNSMulti-fluid flowsSuspensionsMagneto-rheological fluids

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Particulate & Multiphase ProcessingSlide 2 of 2

BioengineeringBio-separations

Transport in bio-systems

Clinical diagnostics and therapeutics

Civil InfrastructureSediment transport in rivers

Natural flows

Environmental

16Conway, Shinbrot and Glasser, Nature, v.431, 433-437, (2004)

Mallock, Proc.Roy. Soc, 1888

Taylor, Proc. Roy. Soc, 1923

Djeridi et al, Expts. In Fluids, 1999

Taylor, Proc. Roy. Soc, 1923

Fluid Instability

Granular Instability

Particle Image Velocimetry

A Taylor Vortex Analogy in Granular Flows

Instabilities & Waves in Sheared Granular Materials

CTS-0200821

Troy Shinbrot and Ben Glasser - Rutgers University

air

h

dVU

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Fluid Dynamics, & Hydraulics

Complex FluidsMolecular dynamics simulations

DNA

Rheology

Instability

Physics of polymer solutions)

Micro/Nano Scale FlowsMicro-fluidics

Biomedical micro-devices

Effects of nano-scale inclusions on rheological properties)

Environmental & Bio-fluid MechanicsFlows in biomedical assistive devices

Urban fluid mechanics

Slide 1 of 2

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Fluid Dynamics, & Hydraulics

Waves and HydraulicsWave-sea bed interactionsTsunamisWave-structure interactionsBreaking wavesCavitation-induced flow instabilitiesSediment transport

General Fluid MechanicsDroplet dynamicsGravitational plumesGas-liquid interfacesInsect flight

Compressible FlowInstabilityHyper-sonics

Turbulence

Slide 2 of 2

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Combustion and Plasma Systems

EnvironmentFine particulate matterMercury and other metalsMulti-pollutant interactionsHydrogen formation via combustionCombustion uses for hydrogenPlasma cleanupClimate change mitigation)

SecurityEnergy securityReduced dependence on imported oilDomestic fuel combustion (biomass, H2, etc.)Gasification as sub-stoichiometric combustionEnergy efficiency improvementsHomeland security (micro-combustion; new sensors)

Slide 1 of 2

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Combustion and Plasma Systems

Public SafetyFire chemistry and physicsWildland/urban interfaceFacilities and transportationAttacks such as World Trade CenterHeterogeneous combustionWind effectsSensorsPlasma sterilization)

ManufacturingNew nano-materialsImproved manufacturing ,e.g., oxy-fuel combustion Biomedical applications of plasmas:

Atmospheric pressure plasma processing

Slide 2 of 2

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• Property/monetary loss from fire: at least 1% of domestic product

• Existing fire protection methods prescriptive• Scientifically based standards needed• Goal – develop performance metrics for fire suppression

design in collaboration with government –NIST, SNL, ONR• Train workforce to use numerical fire suppression tools and

establish fire science curriculum

Motivation and Impact

Challenges and Approach• Need to predict multiphase turbulent mixing

processes over wide range of time/length scales– impossible to simulate from first principles

• Multi-scale modeling approach– Directly simulate large scale turbulent

motion– Model small scales using stochastic

descriptions– Account for non-linear turbulence-

chemistry-radiation-droplet interactions• Validate using NRL & SNL experiments

Phys. of Fluids 16:1866 (2004)

P. DesJardinSUNY at Buffalo

CAREER: High Fidelity Numerical Modeling and Simulation of Fire Suppression

CTS-0348110

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Thermal Transport & Thermal Processing

Manufacturing & Materials ProcessingLaser materials interactions

Optical fiber drawing

MEMS processing

Crystal growth

Thin film processing

Nanoscale Transport PhenomenaEnergy conversion devices

Semiconductor devices

Multiscale conduction

Sub-nano second thermal transport

Nanoscale thermal instrumentation

Slide 1 of 3

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Thermal Transport & Thermal Processing

High heat flux applications, especially at small length scales

Micro-channel flows

Microelectronics cooling

Complex flow processesTurbulent combustion with radiation

Turbulence with real surface roughness

Magnetic and electric fields

Building flow environments

Phase change (liquid/vapor; olid/liquid)High speed annular flow

Micro-scale condensation and evaporation

Multi-component solidification

Slide 2 of 3

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Thermal Transport & Thermal Processing

Design, control and optimizationInverse design

2nd Law optimization

Active control of convection

PropertiesNon-isotropic conductivity

Thermal properties of thin films

Shape memory alloys

High temperature gas radiative properties

Slide 3 of 3

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The End

Chemical & Transport Systems